2SC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N15	C16	doub	1.32Å	1.35Å	Aromatic
N15	C14	sing	1.32Å	1.36Å	Aromatic
C16	C17	sing	1.38Å	1.39Å	Aromatic
C14	C13	doub	1.38Å	1.39Å	Aromatic
C17	C18	doub	1.39Å	1.39Å	Aromatic
C13	C18	sing	1.39Å	1.39Å	Aromatic
C13	C12	sing	1.51Å	1.49Å
N10	C12	sing	1.46Å	1.44Å
N10	C09	sing	1.38Å	1.38Å
N04	C05	doub	1.31Å	1.34Å	Aromatic
N04	N03	sing	1.40Å	1.37Å	Aromatic
C05	C01	sing	1.39Å	1.41Å	Aromatic
C09	N03	sing	1.37Å	1.42Å	Aromatic
C09	C08	doub	1.37Å	1.35Å	Aromatic
N03	C02	sing	1.37Å	1.38Å	Aromatic
C01	C02	doub	1.39Å	1.39Å	Aromatic
C01	C24	sing	1.51Å	1.49Å
C08	C07	sing	1.41Å	1.49Å	Aromatic
C02	N06	sing	1.34Å	1.38Å	Aromatic
C24	O25	sing	1.43Å	1.43Å
C07	N06	doub	1.32Å	1.32Å	Aromatic
C07	C11	sing	1.48Å	1.50Å	Aromatic
C11	C19	doub	1.39Å	1.40Å	Aromatic
C11	C23	sing	1.39Å	1.41Å	Aromatic
C19	C20	sing	1.38Å	1.41Å	Aromatic
C23	C22	doub	1.38Å	1.41Å	Aromatic
C20	C21	doub	1.38Å	1.40Å	Aromatic
C22	C21	sing	1.38Å	1.40Å	Aromatic
C05	H05	sing	1.08Å	1.08Å
C08	H08	sing	1.08Å	1.08Å
N10	HN10	sing	0.97Å	1.00Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C14	H14	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C24	H241	sing	1.09Å	1.10Å
C24	H242	sing	1.09Å	1.10Å
O25	HO25	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	N15	C14	116.6°	121.8°
N15	C16	C17	123.5°	120.7°
N15	C16	H16	118.3°	119.6°
N15	C14	C13	124.3°	120.7°
N15	C14	H14	117.8°	119.6°
C16	C17	C18	118.1°	119.2°
C17	C16	H16	118.2°	119.6°
C16	C17	H17	121.0°	120.4°
C14	C13	C18	117.2°	119.2°
C14	C13	C12	120.2°	120.4°
C13	C14	H14	117.9°	119.7°
C17	C18	C13	120.3°	118.4°
C18	C17	H17	120.9°	120.4°
C17	C18	H18	119.9°	120.8°
C18	C13	C12	122.5°	120.4°
C13	C18	H18	119.9°	120.8°
C13	C12	N10	111.9°	109.5°
C13	C12	H121	108.7°	109.4°
C13	C12	H122	108.1°	109.4°
C12	N10	C09	128.9°	120.0°
C12	N10	HN10	103.4°	120.0°
N10	C12	H121	108.7°	109.5°
N10	C12	H122	108.2°	109.5°
N10	C09	N03	116.7°	120.5°
N10	C09	C08	125.3°	120.4°
C09	N10	HN10	103.4°	120.0°
C05	N04	N03	104.2°	108.8°
N04	C05	C01	113.1°	109.0°
N04	C05	H05	123.4°	125.5°
N04	N03	C09	126.8°	132.4°
N04	N03	C02	111.6°	107.7°
C05	C01	C02	104.1°	107.6°
C05	C01	C24	128.1°	126.2°
C01	C05	H05	123.4°	125.5°
N03	C09	C08	118.0°	119.1°
C09	N03	C02	121.5°	119.9°
C09	C08	C07	117.3°	119.2°
C09	C08	H08	121.3°	120.4°
N03	C02	C01	106.9°	106.8°
N03	C02	N06	122.2°	120.7°
C02	C01	C24	127.8°	126.2°
C01	C02	N06	130.9°	132.4°
C01	C24	O25	112.9°	109.5°
C01	C24	H241	108.3°	109.5°
C01	C24	H242	107.6°	109.5°
C08	C07	N06	124.7°	120.2°
C08	C07	C11	115.7°	119.9°
C07	C08	H08	121.4°	120.4°
C02	N06	C07	116.2°	120.9°
O25	C24	H241	108.4°	109.5°
O25	C24	H242	107.6°	109.5°
C24	O25	HO25	109.5°	114.0°
N06	C07	C11	119.6°	119.9°
C07	C11	C19	118.5°	120.1°
C07	C11	C23	121.6°	120.1°
C19	C11	C23	119.9°	119.8°
C11	C19	C20	120.0°	119.9°
C11	C19	H19	120.0°	120.1°
C11	C23	C22	120.1°	119.8°
C11	C23	H23	119.9°	120.1°
C19	C20	C21	120.2°	120.1°
C20	C19	H19	120.0°	120.0°
C19	C20	H20	119.9°	120.0°
C23	C22	C21	119.7°	120.1°
C23	C22	H22	120.1°	119.9°
C22	C23	H23	120.0°	120.1°
C20	C21	C22	120.1°	120.3°
C21	C20	H20	119.9°	119.9°
C20	C21	H21	119.9°	119.9°
C22	C21	H21	120.0°	119.9°
C21	C22	H22	120.2°	120.0°
H121	C12	H122	111.3°	109.6°
H241	C24	H242	112.2°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N15	C16	C17	H16	180.0°	179.9°
C16	N15	C14	C13	1.4°	0.0°
N15	C16	C17	C18	1.3°	0.1°
C16	N15	C14	H14	178.6°	180.0°
N15	C16	C17	H17	178.7°	180.0°
C14	N15	C16	C17	0.4°	0.1°
N15	C14	C13	H14	180.0°	180.0°
N15	C14	C13	C18	0.6°	0.0°
N15	C14	C13	C12	178.7°	179.7°
C14	N15	C16	H16	179.7°	180.0°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	C13	2.1°	0.1°
C16	C17	C18	H18	177.9°	179.7°
C14	C13	C18	C17	1.2°	0.1°
C14	C13	C18	C12	179.3°	179.7°
C14	C13	C12	N10	76.5°	89.7°
C14	C13	C12	H121	163.5°	150.3°
C14	C13	C12	H122	42.5°	30.2°
C14	C13	C18	H18	178.8°	179.8°
C17	C18	C13	H18	180.0°	179.8°
C17	C18	C13	C12	179.5°	179.8°
C18	C17	C16	H16	178.7°	180.0°
C18	C13	C12	N10	104.2°	90.0°
C18	C13	C12	H121	15.8°	30.0°
C18	C13	C12	H122	136.8°	150.1°
C18	C13	C14	H14	179.4°	180.0°
C13	C18	C17	H17	177.9°	180.0°
C13	C12	N10	H121	120.0°	120.0°
C13	C12	N10	H122	119.0°	119.9°
C13	C12	N10	C09	96.3°	180.0°
C13	C12	N10	HN10	143.6°	0.0°
C13	C12	H121	H122	119.0°	120.0°
C12	C13	C14	H14	1.3°	0.3°
C12	C13	C18	H18	0.5°	0.1°
C12	N10	C09	HN10	120.0°	180.0°
C12	N10	C09	N03	160.9°	180.0°
C12	N10	C09	C08	19.4°	0.1°
N10	C12	H121	H122	119.0°	120.1°
N10	C09	N03	N04	0.4°	0.0°
N10	C09	N03	C08	179.7°	179.9°
N10	C09	N03	C02	179.3°	180.0°
N10	C09	C08	C07	179.2°	180.0°
N10	C09	C08	H08	0.9°	0.1°
C09	N10	C12	H121	23.7°	60.1°
C09	N10	C12	H122	144.7°	60.1°
N04	C05	C01	H05	180.0°	179.7°
C05	N04	N03	C09	178.4°	179.8°
C05	N04	N03	C02	0.7°	0.2°
N04	C05	C01	C02	2.1°	0.4°
N04	C05	C01	C24	177.2°	179.9°
N03	N04	C05	C01	1.8°	0.4°
N04	N03	C09	C02	179.0°	180.0°
N04	N03	C09	C08	179.9°	179.9°
N04	N03	C02	C01	0.6°	0.0°
N04	N03	C02	N06	179.5°	180.0°
N03	N04	C05	H05	178.2°	180.0°
C05	C01	C02	N03	1.6°	0.2°
C05	C01	C02	C24	179.3°	179.7°
C05	C01	C02	N06	178.5°	179.8°
C05	C01	C24	O25	104.2°	0.4°
C05	C01	C24	H241	15.8°	119.7°
C05	C01	C24	H242	137.3°	120.3°
C09	N03	C02	C01	179.7°	180.0°
N03	C09	C08	C07	1.2°	0.1°
C09	N03	C02	N06	0.4°	0.0°
N03	C09	C08	H08	178.8°	180.0°
N03	C09	N10	HN10	40.9°	0.0°
C08	C09	N03	C02	1.0°	0.1°
C09	C08	C07	H08	180.0°	179.9°
C09	C08	C07	N06	1.0°	0.1°
C09	C08	C07	C11	178.0°	180.0°
C08	C09	N10	HN10	139.4°	179.9°
N03	C02	C01	N06	179.9°	179.9°
N03	C02	C01	C24	177.8°	180.0°
N03	C02	N06	C07	0.1°	0.0°
C02	C01	C24	O25	76.6°	180.0°
C01	C02	N06	C07	180.0°	180.0°
C02	C01	C05	H05	177.8°	179.9°
C02	C01	C24	H241	163.4°	60.0°
C02	C01	C24	H242	41.9°	60.0°
C24	C01	C02	N06	2.1°	0.1°
C01	C24	O25	H241	120.0°	120.0°
C01	C24	O25	H242	118.5°	120.0°
C24	C01	C05	H05	2.8°	0.2°
C01	C24	H241	H242	118.6°	120.0°
C01	C24	O25	HO25	78.7°	180.0°
C08	C07	N06	C02	0.4°	0.1°
C08	C07	N06	C11	179.0°	179.9°
C08	C07	C11	C19	153.9°	180.0°
C08	C07	C11	C23	26.9°	0.4°
C02	N06	C07	C11	178.6°	180.0°
O25	C24	H241	H242	118.6°	120.0°
N06	C07	C11	C19	27.0°	0.0°
N06	C07	C11	C23	152.2°	179.7°
N06	C07	C08	H08	179.0°	180.0°
C07	C11	C19	C23	179.2°	179.7°
C07	C11	C19	C20	179.4°	179.9°
C07	C11	C23	C22	179.3°	179.8°
C11	C07	C08	H08	2.0°	0.1°
C07	C11	C19	H19	0.5°	0.1°
C07	C11	C23	H23	0.6°	0.1°
C11	C19	C20	H19	180.0°	180.0°
C19	C11	C23	C22	0.2°	0.6°
C11	C19	C20	C21	0.4°	0.0°
C11	C19	C20	H20	179.6°	180.0°
C19	C11	C23	H23	179.8°	179.8°
C23	C11	C19	C20	0.2°	0.3°
C11	C23	C22	H23	180.0°	179.7°
C11	C23	C22	C21	0.2°	0.6°
C23	C11	C19	H19	179.8°	179.8°
C11	C23	C22	H22	179.8°	179.6°
C19	C20	C21	H20	180.0°	180.0°
C19	C20	C21	C22	0.4°	0.0°
C19	C20	C21	H21	179.6°	180.0°
C23	C22	C21	C20	0.4°	0.3°
C23	C22	C21	H22	180.0°	179.8°
C23	C22	C21	H21	179.6°	179.7°
C20	C21	C22	H21	180.0°	180.0°
C21	C20	C19	H19	179.6°	180.0°
C20	C21	C22	H22	179.6°	179.9°
C22	C21	C20	H20	179.6°	180.0°
C21	C22	C23	H23	179.8°	179.7°
HN10	N10	C12	H121	96.4°	120.0°
HN10	N10	C12	H122	24.7°	119.9°
H16	C16	C17	H17	1.3°	0.1°
H17	C17	C18	H18	2.1°	0.2°
H19	C19	C20	H20	0.4°	0.0°
H20	C20	C21	H21	0.4°	0.0°
H21	C21	C22	H22	0.4°	0.1°
H22	C22	C23	H23	0.2°	0.1°
H241	C24	O25	HO25	161.3°	60.0°
H242	C24	O25	HO25	39.8°	60.0°

Definition date:	2007-09-20
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2R3O